⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12157037 | 0.77 | ALDH1A1 (0.43) | — | |
| SCHEMBL13474987 | 0.77 | ALDH1A1 (0.43) | — | |
| SCHEMBL16364137 | 0.75 | MME (0.36) | — | |
| SCHEMBL8228271 | 0.75 | SLC22A6 (0.38) | — | |
| SCHEMBL16656708 | 0.75 | SLC22A6 (0.38) | — | |
| SCHEMBL8368760 | 0.75 | SLC22A6 (0.38) | — | |
| SCHEMBL13164033 | 0.73 | KDM4E (0.31) | — | |
| SCHEMBL20960290 | 0.73 | — | — | |
| SCHEMBL17617892 | 0.73 | MCL1 (0.34) | — | |
| SCHEMBL12661237 | 0.73 | ECE1 (0.40) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3805250-A1 | IMPROVED 18F - TAGGED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) AND THEIR USE AS IMAGING AGENTS FOR PROSTATE CANCER | Deutsches Krebsforschungszentrum (DE) | 2021-04-14 | — | — | EP | disclosed |
| US-8399827-B1 | Mass spectrometry systems | CEDARS-SINAI MEDICAL CENTER (US) | 2013-03-19 | — | — | US | disclosed |